CID 14018949

Methyl 2-{[(tert-butoxy)carbonyl](methyl)amino}-3-(4-hydroxyphenyl)propanoate

Structural Information

Molecular Formula
C16H23NO5
SMILES
CC(C)(C)OC(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)OC
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17(4)13(14(19)21-5)10-11-6-8-12(18)9-7-11/h6-9,13,18H,10H2,1-5H3
InChIKey
APKANZULCFLXFM-UHFFFAOYSA-N
Compound name
methyl 3-(4-hydroxyphenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

309.15762 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16490 171.5
[M+Na]+ 332.14684 179.2
[M+NH4]+ 327.19144 175.9
[M+K]+ 348.12078 177.2
[M-H]- 308.15034 170.4
[M+Na-2H]- 330.13229 174.1
[M]+ 309.15707 171.9
[M]- 309.15817 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe